N-methyl-4-[5-methyl-3-(1-methyl-1,2,4-triazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridazine-3-carboxamide

C17H19N7O2 — CID 175957118

IUPACN-methyl-4-[5-methyl-3-(1-methyl-1,2,4-triazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])Oc1c(Nc2ccnnc2C(=O)NC)cc(C)cc1-c1ncn(C)n1
InChIInChI=1S/C17H19N7O2/c1-10-7-11(16-19-9-24(3)23-16)15(26-4)13(8-10)21-12-5-6-20-22-14(12)17(25)18-2/h5-9H,1-4H3,(H,18,25)(H,20,21)/i4D3
InChIKeyTYCIVQDJMDUCSH-GKOSEXJESA-N
MW356.40 g/mol
LogP1.69
Rot. Bonds6

About N-methyl-4-[5-methyl-3-(1-methyl-1,2,4-triazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridazine-3-carboxamide

N-methyl-4-[5-methyl-3-(1-methyl-1,2,4-triazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridazine-3-carboxamide (PubChem CID 175957118) has the molecular formula C17H19N7O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-methyl-4-[5-methyl-3-(1-methyl-1,2,4-triazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[5-methyl-3-(1-methyl-1,2,4-triazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridazine-3-carboxamide
PubChem CID175957118
Molecular FormulaC17H19N7O2
Molecular Weight356.40 g/mol
Exact Mass356.18
IUPAC NameN-methyl-4-[5-methyl-3-(1-methyl-1,2,4-triazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])Oc1c(Nc2ccnnc2C(=O)NC)cc(C)cc1-c1ncn(C)n1
InChIInChI=1S/C17H19N7O2/c1-10-7-11(16-19-9-24(3)23-16)15(26-4)13(8-10)21-12-5-6-20-22-14(12)17(25)18-2/h5-9H,1-4H3,(H,18,25)(H,20,21)/i4D3
InChIKeyTYCIVQDJMDUCSH-GKOSEXJESA-N
XLogP1.69
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-methyl-3-(1-methyl-1,2,4-triazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridazine-3-carboxamide?
The IUPAC name of N-methyl-4-[5-methyl-3-(1-methyl-1,2,4-triazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridazine-3-carboxamide (CID 175957118) is N-methyl-4-[5-methyl-3-(1-methyl-1,2,4-triazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-4-[5-methyl-3-(1-methyl-1,2,4-triazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-4-[5-methyl-3-(1-methyl-1,2,4-triazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridazine-3-carboxamide is [2H]C([2H])([2H])Oc1c(Nc2ccnnc2C(=O)NC)cc(C)cc1-c1ncn(C)n1.
What is the InChIKey of N-methyl-4-[5-methyl-3-(1-methyl-1,2,4-triazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridazine-3-carboxamide?
The InChIKey is TYCIVQDJMDUCSH-GKOSEXJESA-N. The full InChI is InChI=1S/C17H19N7O2/c1-10-7-11(16-19-9-24(3)23-16)15(26-4)13(8-10)21-12-5-6-20-22-14(12)17(25)18-2/h5-9H,1-4H3,(H,18,25)(H,20,21)/i4D3.
What are the key properties of N-methyl-4-[5-methyl-3-(1-methyl-1,2,4-triazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridazine-3-carboxamide?
N-methyl-4-[5-methyl-3-(1-methyl-1,2,4-triazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridazine-3-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-methyl-3-(1-methyl-1,2,4-triazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 175957118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).